Geometry & MOs

Info

ID:	201516
PubChem CID:	79550112
Reduced:	ClC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	234.094206
ΔH_f, kcal/mol:	-24.91
Dipole, Da:	2.05
IP(EA), eV:	-9.45(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-2-(chloromethyl)-2-methylpropyl]bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1CC2CC1CC2CC(CC3=CC=CC=C3)(CCl)CCl

DOS

IR

Vibrations